# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 M C C 101.67 6.47 10.62 18.54 111.63 -154.54 -83.84 127.43 99.96 0.02 0.02 99.80 0.14 0.04 0.01 0.00 0.00 0.00 0.00 1 D C C 87.57 3.15 10.94 15.49 109.59 -123.90 -80.40 121.85 96.51 0.04 3.46 95.46 0.45 0.43 3.57 0.06 0.00 0.01 0.02 2 P H H 95.41 2.09 10.44 13.73 93.60 -132.43 -61.09 -35.35 13.58 0.02 86.40 3.61 1.24 7.84 85.47 1.82 0.00 0.01 0.01 3 L H H 101.50 2.22 11.39 14.44 92.75 53.03 -66.27 -39.13 7.24 0.02 92.74 1.79 0.74 4.27 91.31 1.87 0.00 0.01 0.01 4 R H H 129.56 2.65 12.86 16.46 92.43 50.84 -65.52 -40.17 2.64 0.02 97.34 1.25 0.34 1.03 95.87 1.49 0.00 0.01 0.01 5 A H H 55.52 2.82 13.19 17.07 91.77 51.44 -64.30 -40.82 1.59 0.01 98.41 0.72 0.15 0.61 98.02 0.49 0.00 0.00 0.00 6 Q H H 108.84 2.04 14.94 17.00 92.16 50.16 -65.58 -40.25 1.26 0.01 98.73 0.50 0.12 0.54 98.56 0.27 0.00 0.00 0.00 7 Q H H 99.68 3.00 15.20 18.80 92.16 50.36 -64.91 -40.81 0.98 0.00 99.02 0.35 0.08 0.44 98.96 0.17 0.00 0.00 0.00 8 L H H 86.30 3.13 15.74 19.33 92.05 49.98 -64.63 -41.44 0.70 0.00 99.29 0.24 0.06 0.32 99.26 0.13 0.00 0.00 0.00 9 A H H 55.35 2.71 16.31 19.34 91.76 50.65 -63.96 -41.13 0.59 0.00 99.41 0.17 0.04 0.28 99.41 0.10 0.00 0.00 0.00 10 A H H 49.51 3.65 15.60 20.19 91.82 50.71 -64.34 -40.57 0.61 0.00 99.39 0.14 0.04 0.31 99.43 0.09 0.00 0.00 0.00 11 E H H 99.97 3.25 16.35 20.16 91.99 50.74 -64.44 -40.49 0.44 0.00 99.56 0.08 0.02 0.23 99.60 0.06 0.00 0.00 0.00 12 L H H 86.68 2.94 16.46 19.55 92.00 50.64 -64.84 -41.09 0.35 0.00 99.65 0.08 0.02 0.17 99.67 0.06 0.00 0.00 0.00 13 E H H 101.63 3.00 16.62 19.92 92.01 50.32 -64.82 -41.10 0.29 0.00 99.71 0.05 0.01 0.15 99.74 0.05 0.00 0.00 0.00 14 V H H 74.26 4.22 16.01 21.03 92.10 49.85 -64.66 -41.30 0.24 0.00 99.76 0.05 0.01 0.12 99.77 0.04 0.00 0.00 0.00 15 E H H 104.33 3.18 16.70 20.19 91.79 50.58 -64.02 -41.23 0.24 0.00 99.76 0.04 0.01 0.13 99.77 0.04 0.00 0.00 0.00 16 M H H 99.14 2.84 16.97 19.85 91.97 49.86 -65.01 -41.34 0.43 0.00 99.57 0.07 0.02 0.25 99.59 0.07 0.00 0.00 0.00 17 M H H 90.52 4.16 16.81 21.61 92.13 50.01 -64.73 -41.06 0.34 0.00 99.66 0.05 0.02 0.20 99.66 0.07 0.00 0.00 0.00 18 A H H 46.38 4.88 15.98 22.21 91.75 51.05 -63.81 -40.94 0.28 0.00 99.72 0.04 0.01 0.17 99.71 0.06 0.00 0.00 0.00 19 D H H 78.12 2.89 17.76 20.49 91.94 50.19 -64.89 -40.49 0.38 0.00 99.62 0.05 0.02 0.23 99.61 0.09 0.00 0.00 0.00 20 M H H 88.53 3.93 17.33 21.82 92.05 50.54 -64.75 -41.27 0.47 0.00 99.53 0.06 0.02 0.30 99.51 0.11 0.00 0.00 0.00 21 Y H H 103.39 6.72 16.47 24.22 92.10 50.13 -64.39 -41.13 0.49 0.00 99.51 0.07 0.03 0.30 99.50 0.10 0.00 0.00 0.00 22 N H H 87.23 3.85 17.84 22.04 91.87 50.39 -64.50 -40.57 0.60 0.00 99.40 0.09 0.03 0.37 99.40 0.11 0.00 0.00 0.00 23 R H H 141.40 2.00 19.15 20.40 92.09 49.92 -65.15 -40.89 0.60 0.00 99.40 0.06 0.03 0.40 99.38 0.12 0.00 0.00 0.00 24 M H H 72.96 7.23 17.46 25.62 92.29 49.29 -65.21 -41.43 0.66 0.00 99.34 0.08 0.04 0.41 99.34 0.13 0.00 0.00 0.00 25 T H H 47.39 9.60 17.08 27.80 91.97 50.29 -63.87 -41.93 0.99 0.00 99.01 0.15 0.07 0.56 99.08 0.13 0.00 0.00 0.00 26 S H H 56.13 3.34 20.32 23.47 91.86 50.26 -64.55 -41.10 1.81 0.00 98.18 0.23 0.10 1.16 98.31 0.20 0.00 0.00 0.00 27 A H H 45.26 3.79 19.40 23.67 91.50 50.77 -64.14 -41.64 1.61 0.00 98.39 0.24 0.13 1.00 98.29 0.33 0.00 0.00 0.00 28 C H H 27.41 11.49 15.37 28.37 92.14 50.41 -64.37 -41.43 1.61 0.00 98.39 0.27 0.13 1.03 97.87 0.69 0.00 0.00 0.00 29 H H H 79.47 10.36 16.31 27.37 91.93 51.66 -63.91 -39.54 1.35 0.00 98.65 0.15 0.08 0.97 97.25 1.55 0.00 0.00 0.00 30 R H H 162.44 2.02 18.69 20.77 92.08 52.01 -66.53 -36.00 2.53 0.00 97.47 0.12 0.12 2.22 94.60 2.94 0.00 0.00 0.00 31 K H H 130.85 3.38 18.02 21.83 94.87 44.95 -77.91 -27.95 11.12 0.01 88.88 0.26 0.43 10.88 85.94 2.47 0.01 0.00 0.01 32 C H H 42.79 12.41 13.44 26.48 100.89 37.10 -103.18 -11.28 37.53 0.12 62.35 2.03 3.47 31.66 59.89 2.74 0.06 0.04 0.11 33 V C S 44.39 13.66 10.58 24.93 115.60 92.08 -92.84 125.56 98.47 0.58 0.95 24.72 72.43 1.27 0.76 0.17 0.00 0.13 0.53 34 P C C 57.79 6.32 12.99 21.32 114.39 -120.51 -67.31 148.36 98.38 0.21 1.41 90.32 5.08 3.05 0.45 0.86 0.00 0.09 0.16 35 P C T 114.79 1.93 12.12 15.31 93.64 -116.64 -64.75 -25.02 92.17 0.28 7.55 21.16 24.63 46.25 1.37 6.25 0.00 0.13 0.20 36 H C T 149.88 1.40 12.59 14.11 105.98 60.42 -94.74 78.65 89.23 0.66 10.10 29.28 17.40 42.67 2.15 7.76 0.00 0.30 0.43 37 Y C C 98.04 11.33 6.76 17.93 111.05 110.51 -86.77 120.40 87.45 1.20 11.35 62.16 15.83 8.85 3.77 7.87 0.00 0.49 1.03 38 K C C 161.82 1.38 12.38 14.16 101.88 155.46 -95.09 -1.92 89.57 0.76 9.67 59.45 17.96 12.03 4.13 5.51 0.00 0.31 0.62 39 E C C 115.26 3.85 9.65 15.35 116.59 94.25 -89.99 142.21 77.75 1.00 21.24 45.08 19.56 13.00 8.09 12.99 0.00 0.37 0.91 40 A C T 90.02 2.10 10.91 14.27 98.45 -126.22 -74.59 -16.33 70.79 0.47 28.74 21.04 21.45 28.70 8.09 20.08 0.00 0.20 0.43 41 E C C 136.24 2.05 13.14 15.94 115.77 62.46 -102.28 135.51 66.75 1.24 32.01 29.56 14.62 23.31 9.96 21.16 0.01 0.55 0.83 42 L C C 61.34 13.84 7.64 20.94 113.66 -122.09 -83.29 133.77 79.25 1.58 19.17 61.71 13.24 4.58 11.68 7.02 0.00 0.56 1.22 43 S C C 56.76 3.47 14.85 19.18 120.53 -137.31 -83.58 166.02 85.72 0.50 13.78 77.60 5.36 1.98 13.72 0.84 0.00 0.14 0.36 44 K H H 159.54 1.42 14.59 16.29 92.95 -96.03 -60.81 -36.73 5.24 0.01 94.75 0.89 0.94 3.18 93.86 1.11 0.01 0.00 0.00 45 G H H 37.20 4.27 15.56 20.98 92.40 52.02 -64.19 -39.83 4.09 0.01 95.90 0.55 0.45 2.86 94.80 1.32 0.00 0.00 0.00 46 E H H 48.95 13.38 13.93 27.87 92.17 50.24 -66.35 -39.00 2.03 0.01 97.96 0.50 0.22 1.15 96.98 1.14 0.00 0.00 0.00 47 S H H 45.56 6.47 17.65 25.41 91.88 53.05 -63.92 -40.90 1.35 0.01 98.64 0.42 0.16 0.64 98.41 0.36 0.00 0.00 0.00 48 V H H 78.86 2.41 21.59 22.72 92.03 49.94 -64.15 -42.19 1.05 0.00 98.94 0.20 0.10 0.59 98.96 0.15 0.00 0.00 0.00 49 C H H 31.06 10.14 17.58 29.30 91.80 50.37 -63.95 -42.62 0.60 0.00 99.40 0.10 0.04 0.34 99.42 0.10 0.00 0.00 0.00 50 L H H 42.80 13.50 17.20 31.19 91.70 50.50 -63.49 -41.72 0.25 0.00 99.75 0.03 0.01 0.13 99.77 0.05 0.00 0.00 0.00 51 D H H 86.89 2.81 22.08 24.25 91.62 50.39 -64.40 -41.18 0.19 0.00 99.80 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 52 R H H 127.99 3.10 21.18 23.94 91.89 49.29 -65.16 -41.03 0.29 0.00 99.71 0.02 0.01 0.20 99.72 0.05 0.00 0.00 0.00 53 C H H 24.39 13.33 16.24 30.63 92.10 49.73 -64.66 -42.28 0.59 0.00 99.41 0.04 0.02 0.42 99.47 0.05 0.00 0.00 0.00 54 V H H 61.29 6.73 19.21 26.96 91.53 50.01 -63.60 -41.88 0.48 0.00 99.52 0.06 0.03 0.29 99.58 0.04 0.00 0.00 0.00 55 S H H 59.11 2.21 20.83 21.80 91.61 50.46 -63.77 -41.54 0.31 0.00 99.69 0.03 0.01 0.18 99.73 0.04 0.00 0.00 0.00 56 K H H 87.00 6.76 18.31 25.92 91.91 50.16 -64.85 -40.94 0.23 0.00 99.77 0.02 0.01 0.14 99.79 0.04 0.00 0.00 0.00 57 Y H H 80.54 10.87 16.48 28.10 91.79 50.84 -63.43 -41.79 0.16 0.00 99.84 0.01 0.01 0.10 99.84 0.04 0.00 0.00 0.00 58 L H H 89.83 2.60 19.47 21.58 91.51 49.86 -63.97 -41.10 0.15 0.00 99.85 0.01 0.01 0.09 99.86 0.03 0.00 0.00 0.00 59 D H H 78.74 2.65 19.01 21.23 92.01 50.13 -64.80 -41.26 0.28 0.00 99.72 0.03 0.01 0.18 99.74 0.04 0.00 0.00 0.00 60 I H H 51.57 9.46 15.51 26.35 92.08 50.59 -64.22 -42.23 0.20 0.00 99.80 0.02 0.01 0.13 99.80 0.04 0.00 0.00 0.00 61 H H H 99.26 4.89 17.51 23.26 91.70 50.71 -64.13 -40.91 0.20 0.00 99.80 0.02 0.01 0.12 99.80 0.05 0.00 0.00 0.00 62 E H H 113.99 1.68 18.96 19.33 92.07 49.75 -64.79 -40.95 0.38 0.00 99.62 0.03 0.01 0.26 99.62 0.08 0.00 0.00 0.00 63 R H H 112.11 4.62 17.42 22.62 92.17 48.86 -65.77 -40.83 0.58 0.00 99.42 0.06 0.03 0.39 99.42 0.11 0.00 0.00 0.00 64 M H H 69.90 8.04 15.34 24.54 91.91 50.59 -64.21 -40.90 0.67 0.00 99.32 0.09 0.04 0.42 99.30 0.15 0.00 0.00 0.00 65 G H H 36.23 2.72 17.12 20.04 91.59 50.83 -63.14 -41.26 1.37 0.00 98.63 0.20 0.08 0.86 98.66 0.21 0.00 0.00 0.00 66 K H H 118.49 1.91 17.87 19.02 92.30 49.99 -65.44 -40.53 1.30 0.00 98.70 0.20 0.09 0.76 98.78 0.18 0.00 0.00 0.00 67 K H H 95.10 5.51 15.99 22.49 92.12 50.25 -64.88 -41.34 0.93 0.00 99.07 0.20 0.08 0.47 99.10 0.16 0.00 0.00 0.00 68 L H H 86.25 4.14 16.09 20.94 91.99 50.16 -64.62 -40.22 0.85 0.00 99.15 0.21 0.07 0.42 99.15 0.16 0.00 0.00 0.00 69 T H H 78.25 1.80 17.19 18.11 91.58 50.11 -64.50 -41.12 1.00 0.00 98.99 0.27 0.08 0.48 99.00 0.17 0.00 0.00 0.00 70 E H H 102.80 2.57 16.76 19.30 92.07 49.77 -65.15 -40.84 1.07 0.00 98.93 0.21 0.08 0.59 98.92 0.20 0.00 0.00 0.00 71 L H H 74.97 4.75 15.04 21.04 92.08 49.98 -64.82 -40.54 1.44 0.00 98.56 0.30 0.12 0.81 98.50 0.27 0.00 0.00 0.00 72 S H H 57.80 2.66 16.00 18.93 91.88 51.03 -64.14 -40.40 2.49 0.00 97.51 0.62 0.21 1.33 97.49 0.34 0.00 0.00 0.00 73 M H H 102.97 1.84 16.30 17.54 92.32 50.13 -65.40 -40.49 2.69 0.01 97.30 0.73 0.26 1.38 97.25 0.38 0.00 0.00 0.00 74 Q H H 94.74 2.83 15.47 18.78 92.12 50.39 -65.17 -40.39 2.03 0.00 97.97 0.60 0.19 0.97 97.94 0.30 0.00 0.00 0.00 75 D H H 78.68 3.28 14.93 18.90 92.24 50.24 -64.93 -39.64 1.68 0.00 98.32 0.47 0.15 0.80 98.31 0.27 0.00 0.00 0.00 76 E H H 108.05 1.83 15.82 17.18 92.09 50.80 -65.04 -40.41 1.23 0.00 98.76 0.28 0.10 0.64 98.74 0.24 0.00 0.00 0.00 77 E H H 102.14 2.04 15.60 17.44 91.93 50.36 -64.83 -40.83 1.11 0.00 98.89 0.27 0.09 0.57 98.86 0.21 0.00 0.00 0.00 78 L H H 80.55 3.04 14.29 18.32 91.98 50.09 -64.64 -40.75 1.28 0.00 98.72 0.32 0.10 0.67 98.64 0.26 0.00 0.00 0.00 79 M H H 97.81 2.35 14.33 17.12 91.92 50.71 -64.54 -40.43 1.54 0.00 98.45 0.38 0.13 0.82 98.33 0.33 0.00 0.00 0.00 80 K H H 120.35 1.59 14.57 15.79 92.14 51.09 -64.95 -40.41 2.42 0.01 97.57 0.67 0.25 1.30 97.28 0.48 0.00 0.00 0.00 81 R H H 137.65 1.75 13.61 15.46 92.43 50.29 -65.81 -40.19 4.04 0.02 95.94 1.13 0.46 2.29 95.27 0.84 0.00 0.01 0.01 82 V H H 85.47 2.42 12.26 15.57 92.42 49.84 -65.81 -39.30 6.32 0.04 93.64 2.00 0.83 3.31 92.48 1.34 0.00 0.02 0.02 83 Q H H 124.09 1.43 12.01 13.62 92.78 51.51 -67.14 -34.88 13.89 0.09 86.02 4.18 1.73 7.55 84.55 1.90 0.01 0.03 0.05 84 Q H H 132.13 1.29 10.90 12.47 94.60 52.85 -73.31 -26.10 31.35 0.17 68.48 7.53 4.15 19.11 66.34 2.67 0.02 0.06 0.11 85 S C H 82.91 1.97 9.30 12.49 99.10 61.97 -79.43 -10.14 54.33 0.40 45.27 17.05 10.31 26.99 42.32 2.92 0.02 0.14 0.25 86 S C C 92.00 1.21 9.23 11.26 102.59 63.56 -86.24 4.72 77.75 0.70 21.55 34.77 17.53 25.34 18.83 2.82 0.00 0.24 0.47 87 G C C 48.24 2.74 8.37 12.83 122.30 120.48 -104.91 173.02 97.59 0.84 1.57 59.32 33.87 4.46 0.81 0.66 0.00 0.33 0.55 88 P C C 118.34 1.17 9.80 11.65 110.40 -70.05 -72.41 144.12 98.81 0.44 0.75 95.34 1.31 2.43 0.29 0.22 0.00 0.20 0.21 89 A C C 86.72 2.73 9.80 14.33 108.66 -100.35 -74.05 136.27 99.96 0.03 0.01 99.89 0.07 0.03 0.00 0.00 0.00 0.01 0.00